E551-0050 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

E551-0050 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
E551-0050 Screening compound: 2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E551-0050
2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E551-0050

Molecular Formula

C22H19F3N6O4S2 (C22 H19 F3 N6 O4 S2)

Compound Name

2-{[3-(2-benzenesulfonamidoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-{[3-(2-benzenesulfonamidoethyl)-[124]triazolo[43-b]pyridazin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

O=C(CSc(cc1)nn2c1nnc2CCNS(c1ccccc1)(=O)=O)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C22H19F3N6O4S2/c23-22(24,25)35-16-8-6-15(7-9-16)27-20(32)14-36-21-11-10-18-28-29-19(31(18)30-21)12-13-26-37(33,34)17-4-2-1-3-5-17/h1-11,26H,12-14H2,(H,27,32)

InChI Key

IOTNRINEHMSYQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05961354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.600

Water Solubility, LogSw

-3.93

Polar Surface Area

103.420

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E551-0050 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E551-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E551-0050?
Check Price and Availability of E551-0050, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E551-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E551-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E551-0050
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E551-0050 available by request